K248-0122 Screening compound: 4-chloro-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-methoxybenzyl)benzamide

K248-0122 Screening compound: 4-chloro-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-methoxybenzyl)benzamide
K248-0122 Screening compound: 4-chloro-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-methoxybenzyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0122
4-chloro-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-methoxybenzyl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K248-0122

Molecular Formula

C20H20ClN3O4S2 (C20 H20 ClN3 O4 S2)

Compound Name

4-chloro-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-N~1~-(2-methoxybenzyl)benzamide

IUPAC name

4-chloro-3-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}amino)-N-[(2-methoxyphenyl)methyl]benzamide

SMILES

COc1c(CNC(c(cc2)cc(NC3=NC(CS(C4)(=O)=O)C4S3)c2Cl)=O)cccc1

InChI

InChI=1S/C20H20ClN3O4S2/c1-28-17-5-3-2-4-13(17)9-22-19(25)12-6-7-14(21)15(8-12)23-20-24-16-10-30(26,27)11-18(16)29-20/h2-8,16,18H,9-11H2,1H3,(H,22,25)(H,23,24)

InChI Key

PJJCZYIJQOFXBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15083842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.98

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.095

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.65

Polar Surface Area

78.687

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

K248-0122 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K248-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0122?
Check Price and Availability of K248-0122, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K248-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0122
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K248-0122 available by request